2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane

C7H11F3O — CID 11116446

IUPAC2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane
SMILESCC(C)CO/C=C\C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-6(2)5-11-4-3-7(8,9)10/h3-4,6H,5H2,1-2H3/b4-3-
InChIKeyLDQKUIOSRBQXGN-ARJAWSKDSA-N
MW168.16 g/mol
LogP2.73
Rot. Bonds3

About 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane

2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane (PubChem CID 11116446) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane.

Molecular Properties

Compound Name2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane
PubChem CID11116446
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane
SMILESCC(C)CO/C=C\C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-6(2)5-11-4-3-7(8,9)10/h3-4,6H,5H2,1-2H3/b4-3-
InChIKeyLDQKUIOSRBQXGN-ARJAWSKDSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane?
The IUPAC name of 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane (CID 11116446) is 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane.
What is the SMILES notation for 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane?
The canonical SMILES for 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane is CC(C)CO/C=C\C(F)(F)F.
What is the InChIKey of 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane?
The InChIKey is LDQKUIOSRBQXGN-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H11F3O/c1-6(2)5-11-4-3-7(8,9)10/h3-4,6H,5H2,1-2H3/b4-3-.
What are the key properties of 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane?
2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane has a molecular weight of 168.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane is sourced from PubChem (CID 11116446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).